SCHEMBL28028759

SCHEMBL28028759

COc1ccc(CCC(N)=O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.59
POLB P06746 1/20 0.53
APLNR P35414 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 2/20 0.47
ALDH1A1 P00352 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10915038 0.94 MTNR1A (0.62) MTNR1APOLBAPLNRNPC1PKM
SCHEMBL8708565 0.89 MTNR1A (0.58) MTNR1AAPLNRMEN1KMT2ACNR1
SCHEMBL10784792 0.87 POLB (0.55) POLBAPLNRNPC1PKMRAB9A
SCHEMBL490637 0.85 POLB (0.71) POLBAPLNRNPC1PKMRAB9A
SCHEMBL266527 0.85 NPC1 (0.58) MTNR1APOLBAPLNRNPC1PKM
SCHEMBL2398226 0.84 POLB (0.53) POLBAPLNRNPC1PKMRAB9A
SCHEMBL16172631 0.84 ACHE (0.48) MTNR1ANPC1RAB9AALDH1A1
SCHEMBL585472 0.84 APLNR (0.56) POLBAPLNRNPC1PKMRAB9A
SCHEMBL30522046 0.83 KMT2A (0.56) APLNRMEN1KMT2ACA12CA1
SCHEMBL3456256 0.83 KMT2A (0.56) APLNRMEN1KMT2ACA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781256-A 3,4-disubstituted oxazolidinone derivatives and their use as inhibitors of the calcium activated potassium channel HOFFMANN LA ROCHE 2015-07-15 CN disclosed